2-benzyl-1-[2-(oxolan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)guanidine

C20H26N4O — CID 75532700

IUPAC2-benzyl-1-[2-(oxolan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)guanidine
SMILESc1ccc(C/N=C(\NCCC2CCCO2)NCc2ccccn2)cc1
InChIInChI=1S/C20H26N4O/c1-2-7-17(8-3-1)15-23-20(22-13-11-19-10-6-14-25-19)24-16-18-9-4-5-12-21-18/h1-5,7-9,12,19H,6,10-11,13-16H2,(H2,22,23,24)
InChIKeySYAZECUSDHTSKP-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.89
Rot. Bonds7

About 2-benzyl-1-[2-(oxolan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)guanidine

2-benzyl-1-[2-(oxolan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)guanidine (PubChem CID 75532700) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-benzyl-1-[2-(oxolan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-[2-(oxolan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)guanidine
PubChem CID75532700
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-benzyl-1-[2-(oxolan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)guanidine
SMILESc1ccc(C/N=C(\NCCC2CCCO2)NCc2ccccn2)cc1
InChIInChI=1S/C20H26N4O/c1-2-7-17(8-3-1)15-23-20(22-13-11-19-10-6-14-25-19)24-16-18-9-4-5-12-21-18/h1-5,7-9,12,19H,6,10-11,13-16H2,(H2,22,23,24)
InChIKeySYAZECUSDHTSKP-UHFFFAOYSA-N
XLogP2.89
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4-nitrophenyl)methyl]-1-(oxan-2-ylmethyl)-3-(pyridin-2-ylmethyl)guanidine
CID 110020562
3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 65164038
2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 110953498
1-ethyl-3-[2-(oxolan-2-yl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111420688
N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99708470
2-methyl-1-[2-(oxolan-2-yl)ethyl]-3-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 111875621
1-[(3-fluorophenyl)methyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine
CID 111875637
1-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 95766827
2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine
CID 110969780
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2-pyridin-2-ylethylamino)methylidene]amino]acetamide
CID 111139967
2-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969779
1-[2-(oxolan-2-yl)ethyl]-3-prop-2-enyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 75369619

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[2-(oxolan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 2-benzyl-1-[2-(oxolan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)guanidine (CID 75532700) is 2-benzyl-1-[2-(oxolan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 2-benzyl-1-[2-(oxolan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 2-benzyl-1-[2-(oxolan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)guanidine is c1ccc(C/N=C(\NCCC2CCCO2)NCc2ccccn2)cc1.
What is the InChIKey of 2-benzyl-1-[2-(oxolan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)guanidine?
The InChIKey is SYAZECUSDHTSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-7-17(8-3-1)15-23-20(22-13-11-19-10-6-14-25-19)24-16-18-9-4-5-12-21-18/h1-5,7-9,12,19H,6,10-11,13-16H2,(H2,22,23,24).
What are the key properties of 2-benzyl-1-[2-(oxolan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)guanidine?
2-benzyl-1-[2-(oxolan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)guanidine has a molecular weight of 338.45 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[2-(oxolan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 75532700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).